N-(3,4-dimethoxybenzyl)cyclopentanamine
Basic information
- CAS
356091-42-4- Standard SMILES
COc1ccc(CNC2CCCC2)cc1OC- InChIKey
MQPREDSGRRLUDP-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- N-(3,4-dimethoxybenzyl)cyclopentanamine
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]cyclopentanamine
- English name
- Cyclopentyl-(3,4-dimethoxy-benzyl)-amine
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
N-(3,4-dimethoxybenzyl)cyclopentanamine356091-42-4N-[(3,4-dimethoxyphenyl)methyl]cyclopentanamineCyclopentyl-(3,4-dimethoxy-benzyl)-amine[(3,4-dimethoxyphenyl)methyl]cyclopentylamineCambridge id 5540698Oprea1_140013Oprea1_646118DTXSID10354521SBB018243STK139426WAY-310707-A
Show more names
CHEMBRDG-BB 5540698UKRORGSYN-BB BBV-119965Benzenemethanamine, N-cyclopentyl-3,4-dimethoxy-N-(3,4-dimethoxybenzyl)cyclopentanamine(SALTDATA: HCl)
AKOS000226735DB-264714ST45158769AB00088114-01F1967-9766
Database identifiers
- CAS
356091-42-4- PubChem CID
- 775464
- DTXSID
DTXSID10354521
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 342 · 342.0±27.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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